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Author:

Zhao, Yanpeng (Zhao, Yanpeng.) | Wang, Jingjing (Wang, Jingjing.) | Chang, Fubin (Chang, Fubin.) | Gong, Weikang (Gong, Weikang.) | Liu, Yang (Liu, Yang.) | Li, Chunhua (Li, Chunhua.) (Scholars:李春华)

Indexed by:

Scopus SCIE

Abstract:

Metal ion is an indispensable factor for the proper folding, structural stability and functioning of RNA molecules. However, it is very difficult for experimental methods to detect them in RNAs. With the increase of experimentally resolved RNA structures, it becomes possible to identify the metal ion-binding sites in RNA structures through in-silico methods. Here, we propose an approach called Metal3DRNA to identify the binding sites of the most common metal ions (Mg2+, Na+ and K+) in RNA structures by using a three-dimensional convolutional neural network model. The negative samples, screened out based on the analysis for binding surroundings of metal ions, are more like positive ones than the randomly selected ones, which are beneficial to a powerful predictor construction. The microenvironments of the spatial distributions of C, O, N and P atoms around a sample are extracted as features. Metal3DRNA shows a promising prediction power, generally surpassing the state-of-the-art methods FEATURE and MetalionRNA. Finally, utilizing the visualization method, we inspect the contributions of nucleotide atoms to the classification in several cases, which provides a visualization that helps to comprehend the model. The method will be helpful for RNA structure prediction and dynamics simulation study.

Keyword:

deep learning method RNA structure visualization metal ion-binding site microenvironment

Author Community:

  • [ 1 ] [Zhao, Yanpeng]Beijing Univ Technol, Fac Environm & Life Sci, Beijing 100124, Peoples R China
  • [ 2 ] [Wang, Jingjing]Beijing Univ Technol, Fac Environm & Life Sci, Beijing 100124, Peoples R China
  • [ 3 ] [Chang, Fubin]Beijing Univ Technol, Fac Environm & Life Sci, Beijing 100124, Peoples R China
  • [ 4 ] [Gong, Weikang]Beijing Univ Technol, Fac Environm & Life Sci, Beijing 100124, Peoples R China
  • [ 5 ] [Liu, Yang]Beijing Univ Technol, Fac Environm & Life Sci, Beijing 100124, Peoples R China
  • [ 6 ] [Li, Chunhua]Beijing Univ Technol, Fac Environm & Life Sci, Beijing 100124, Peoples R China

Reprint Author's Address:

  • [Li, Chunhua]Beijing Univ Technol, Fac Environm & Life Sci, Beijing 100124, Peoples R China;;

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Source :

BRIEFINGS IN BIOINFORMATICS

ISSN: 1467-5463

Year: 2023

Issue: 2

Volume: 24

9 . 5 0 0

JCR@2022

ESI Discipline: COMPUTER SCIENCE;

ESI HC Threshold:19

Cited Count:

WoS CC Cited Count: 5

SCOPUS Cited Count: 7

ESI Highly Cited Papers on the List: 0 Unfold All

WanFang Cited Count:

Chinese Cited Count:

30 Days PV: 3

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